4-[4-(4-carbazol-9-ylphenyl)-6-[4-(dimethylamino)phenyl]-1,3,5-triazin-2-yl]-N,N-dimethylaniline

C37H32N6 — CID 147427849

IUPAC4-[4-(4-carbazol-9-ylphenyl)-6-[4-(dimethylamino)phenyl]-1,3,5-triazin-2-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2nc(-c3ccc(N(C)C)cc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1
InChIInChI=1S/C37H32N6/c1-41(2)28-19-13-25(14-20-28)35-38-36(26-15-21-29(22-16-26)42(3)4)40-37(39-35)27-17-23-30(24-18-27)43-33-11-7-5-9-31(33)32-10-6-8-12-34(32)43/h5-24H,1-4H3
InChIKeyDTTBUGNKMQSPJK-UHFFFAOYSA-N
MW560.71 g/mol
LogP8.10
Rot. Bonds6

About 4-[4-(4-carbazol-9-ylphenyl)-6-[4-(dimethylamino)phenyl]-1,3,5-triazin-2-yl]-N,N-dimethylaniline

4-[4-(4-carbazol-9-ylphenyl)-6-[4-(dimethylamino)phenyl]-1,3,5-triazin-2-yl]-N,N-dimethylaniline (PubChem CID 147427849) has the molecular formula C37H32N6 and a molecular weight of 560.71 g/mol. Its IUPAC name is 4-[4-(4-carbazol-9-ylphenyl)-6-[4-(dimethylamino)phenyl]-1,3,5-triazin-2-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[4-(4-carbazol-9-ylphenyl)-6-[4-(dimethylamino)phenyl]-1,3,5-triazin-2-yl]-N,N-dimethylaniline
PubChem CID147427849
Molecular FormulaC37H32N6
Molecular Weight560.71 g/mol
Exact Mass560.27
IUPAC Name4-[4-(4-carbazol-9-ylphenyl)-6-[4-(dimethylamino)phenyl]-1,3,5-triazin-2-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2nc(-c3ccc(N(C)C)cc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1
InChIInChI=1S/C37H32N6/c1-41(2)28-19-13-25(14-20-28)35-38-36(26-15-21-29(22-16-26)42(3)4)40-37(39-35)27-17-23-30(24-18-27)43-33-11-7-5-9-31(33)32-10-6-8-12-34(32)43/h5-24H,1-4H3
InChIKeyDTTBUGNKMQSPJK-UHFFFAOYSA-N
XLogP8.10
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.71
LogP ≤ 58.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4,6-bis(4-carbazol-9-ylphenyl)pyrimidin-2-yl]-N,N-dimethylaniline
CID 122370240
9-[4-[4-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole
CID 122425211
9-[4-[4-(4-carbazol-9-ylphenyl)-6-methyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 126564639
9-[4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 122425259
9-[4-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole
CID 59779621
9-[4-[4-[4,6-bis[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-3,6-bis(4-carbazol-9-ylphenyl)carbazole
CID 101429712
22-[4-[4,6-bis[4-(5,15,29,39-tetraphenyl-5,15,22,29,39-pentazaundecacyclo[21.18.0.02,21.04,19.06,18.08,16.09,14.025,40.026,38.028,36.030,35]hentetraconta-1(41),2,4(19),6(18),7,9,11,13,16,20,23,25(40),26(38),27,30,32,34,36-octadecaen-22-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-5,15,29,39-tetraphenyl-5,15,22,29,39-pentazaundecacyclo[21.18.0.02,21.04,19.06,18.08,16.09,14.025,40.026,38.028,36.030,35]hentetraconta-1(41),2,4(19),6(18),7,9,11,13,16,20,23,25(40),26(38),27,30,32,34,36-octadecaene
CID 88949847
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-b]carbazole
CID 139481204
3-carbazol-9-yl-9-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 148633406
3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 162055470
3-carbazol-9-yl-9-[4-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 130353815
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;ethane;9-methylcarbazole
CID 160749853

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-carbazol-9-ylphenyl)-6-[4-(dimethylamino)phenyl]-1,3,5-triazin-2-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[4-(4-carbazol-9-ylphenyl)-6-[4-(dimethylamino)phenyl]-1,3,5-triazin-2-yl]-N,N-dimethylaniline (CID 147427849) is 4-[4-(4-carbazol-9-ylphenyl)-6-[4-(dimethylamino)phenyl]-1,3,5-triazin-2-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[4-(4-carbazol-9-ylphenyl)-6-[4-(dimethylamino)phenyl]-1,3,5-triazin-2-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[4-(4-carbazol-9-ylphenyl)-6-[4-(dimethylamino)phenyl]-1,3,5-triazin-2-yl]-N,N-dimethylaniline is CN(C)c1ccc(-c2nc(-c3ccc(N(C)C)cc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1.
What is the InChIKey of 4-[4-(4-carbazol-9-ylphenyl)-6-[4-(dimethylamino)phenyl]-1,3,5-triazin-2-yl]-N,N-dimethylaniline?
The InChIKey is DTTBUGNKMQSPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H32N6/c1-41(2)28-19-13-25(14-20-28)35-38-36(26-15-21-29(22-16-26)42(3)4)40-37(39-35)27-17-23-30(24-18-27)43-33-11-7-5-9-31(33)32-10-6-8-12-34(32)43/h5-24H,1-4H3.
What are the key properties of 4-[4-(4-carbazol-9-ylphenyl)-6-[4-(dimethylamino)phenyl]-1,3,5-triazin-2-yl]-N,N-dimethylaniline?
4-[4-(4-carbazol-9-ylphenyl)-6-[4-(dimethylamino)phenyl]-1,3,5-triazin-2-yl]-N,N-dimethylaniline has a molecular weight of 560.71 g/mol, XLogP of 8.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-carbazol-9-ylphenyl)-6-[4-(dimethylamino)phenyl]-1,3,5-triazin-2-yl]-N,N-dimethylaniline is sourced from PubChem (CID 147427849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).